4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one

C9H14N4O — CID 136978971

IUPAC4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESNCC1CCCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C9H14N4O/c10-5-7-2-1-3-13(7)8-4-9(14)12-6-11-8/h4,6-7H,1-3,5,10H2,(H,11,12,14)
InChIKeyJALILBZAIBEGFB-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.30
Rot. Bonds2

About 4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one

4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136978971) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136978971
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESNCC1CCCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C9H14N4O/c10-5-7-2-1-3-13(7)8-4-9(14)12-6-11-8/h4,6-7H,1-3,5,10H2,(H,11,12,14)
InChIKeyJALILBZAIBEGFB-UHFFFAOYSA-N
XLogP-0.30
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136978978
3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136896343
4-[2-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136977760
4-[3-[(cyclopropylamino)methyl]morpholin-4-yl]-1H-pyrimidin-6-one
CID 137008187
4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957371
2-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile
CID 96683436
4-(3-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957515
2-[2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile;hydrochloride
CID 71644679
(3R)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136914108
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 168661169
1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid;hydrochloride
CID 139026681
6-[2-(aminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283446

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one (CID 136978971) is 4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one is NCC1CCCN1c1cc(=O)[nH]cn1.
What is the InChIKey of 4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is JALILBZAIBEGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-5-7-2-1-3-13(7)8-4-9(14)12-6-11-8/h4,6-7H,1-3,5,10H2,(H,11,12,14).
What are the key properties of 4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 194.24 g/mol, XLogP of -0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136978971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).